Chemical Properties of 1,3-Butanediol (CAS 107-88-0)

1,3-Butanediol

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InChI
InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
InChI Key
PUPZLCDOIYMWBV-UHFFFAOYSA-N
Formula
C4H10O2
SMILES
CC(O)CCO
Molecular Weight1
90.12
CAS
107-88-0
Other Names
  • «beta»-Butylene glycol
  • Methyltrimethylene glycol
  • 1-Methyl-1,3-propanediol
  • 1,3-Butylene glycol
  • 1,3-Dihydroxybutane
  • Butane-1,3-diol
  • BD
  • 1,3-Butandiol
  • 1,3-Butylenglykol
  • 1,3-Butanodiol
  • Butanediol,1,3-
  • (RS)-1,3-Butanediol
  • Butylene glycol
  • NSC 402145

Physical Properties

Property Value Unit Source
Δcliquid [-2502.20; -2488.00] kJ/mol Show Hide
Δcliquid -2502.20 ± 2.10 kJ/mol NIST
Δcliquid -2488.00 kJ/mol NIST
EA 0.01 ± 0.00 eV NIST
Δf -293.28 kJ/mol Joback Calculated Property
Δfgas [-447.10; -433.00] kJ/mol Show Hide
Δfgas -433.00 ± 3.00 kJ/mol NIST
Δfgas -447.10 kJ/mol NIST
Δfliquid [-515.10; -501.00] kJ/mol Show Hide
Δfliquid -501.00 ± 2.00 kJ/mol NIST
Δfliquid -515.10 kJ/mol NIST
Δfus 10.77 kJ/mol Joback Calculated Property
Δvap [68.00; 74.50] kJ/mol Show Hide
Δvap 72.60 ± 0.30 kJ/mol NIST
Δvap 72.80 ± 0.60 kJ/mol NIST
Δvap 74.50 ± 1.00 kJ/mol NIST
Δvap 68.00 kJ/mol NIST
log10WS -0.14 Crippen Calculated Property
logPoct/wat -0.250 Crippen Calculated Property
McVol 78.960 ml/mol McGowan Calculated Property
Pc 5029.93 kPa Joback Calculated Property
Inp [765.00; 821.00]   Show Hide
Inp 821.00 NIST
Inp 789.00 NIST
Inp 810.00 NIST
Inp 785.00 NIST
Inp 815.00 NIST
Inp 777.00 NIST
Inp 782.00 NIST
Inp 789.00 NIST
Inp 788.00 NIST
Inp 801.00 NIST
Inp 765.00 NIST
Inp 777.00 NIST
Inp 784.00 NIST
Inp 784.00 NIST
Inp 801.00 NIST
Inp 789.00 NIST
Inp 785.00 NIST
Inp 788.00 NIST
Inp 821.00 NIST
I [1556.00; 1619.00]   Show Hide
I 1556.00 NIST
I 1578.00 NIST
I 1576.00 NIST
I 1594.00 NIST
I 1558.00 NIST
I 1600.00 NIST
I 1594.00 NIST
I 1619.00 NIST
I 1556.00 NIST
I 1576.00 NIST
I 1556.00 NIST
I 1594.00 NIST
Tboil [476.70; 481.43] K Show Hide
Tboil Outlier 476.70 K NIST
Tboil 481.43 ± 0.05 K NIST
Tboil 480.15 ± 1.00 K NIST
Tboil 480.65 ± 1.00 K NIST
Tboil 481.15 ± 1.00 K NIST
Tboil 480.15 ± 1.00 K NIST
Tboil 478.65 ± 3.00 K NIST
Tboil 480.65 ± 0.70 K NIST
Tc 636.47 K Joback Calculated Property
Tfus 241.48 K Joback Calculated Property
Vc 0.291 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [173.31; 209.35] J/mol×K [474.84; 636.47] Show Hide
Cp,gas 173.31 J/mol×K 474.84 Joback Calculated Property
Cp,gas 179.93 J/mol×K 501.78 Joback Calculated Property
Cp,gas 186.29 J/mol×K 528.72 Joback Calculated Property
Cp,gas 192.41 J/mol×K 555.66 Joback Calculated Property
Cp,gas 198.29 J/mol×K 582.59 Joback Calculated Property
Cp,gas 203.94 J/mol×K 609.53 Joback Calculated Property
Cp,gas 209.35 J/mol×K 636.47 Joback Calculated Property
Cp,liquid 227.20 J/mol×K 303.00 NIST
η [0.0001265; 0.6060212] Pa×s [241.48; 474.84] Show Hide
η 0.6060212 Pa×s 241.48 Joback Calculated Property
η 0.0554139 Pa×s 280.37 Joback Calculated Property
η 0.0090753 Pa×s 319.27 Joback Calculated Property
η 0.0022017 Pa×s 358.16 Joback Calculated Property
η 0.0007050 Pa×s 397.05 Joback Calculated Property
η 0.0002766 Pa×s 435.95 Joback Calculated Property
η 0.0001265 Pa×s 474.84 Joback Calculated Property
ΔvapH [54.40; 72.30] kJ/mol [373.00; 451.50] Show Hide
ΔvapH 68.00 ± 2.00 kJ/mol 373.00 NIST
ΔvapH 59.70 kJ/mol 398.00 NIST
ΔvapH 67.60 kJ/mol 422.50 NIST
ΔvapH 64.10 ± 0.60 kJ/mol 441.50 NIST
ΔvapH 59.50 ± 0.50 kJ/mol 441.50 NIST
ΔvapH 54.40 ± 0.60 kJ/mol 441.50 NIST
ΔvapH 72.30 ± 0.80 kJ/mol 441.50 NIST
ΔvapH 68.30 ± 0.70 kJ/mol 441.50 NIST
ΔvapH 58.10 kJ/mol 451.50 NIST

Similar Compounds

1,3-Butanediol, (S)-. 1,3-Butanediol. 1,3-Butanediol, (R)-. (2R,4R)-(-)-Pentanediol. 2,4-Pentanediol. 1,3-Pentanediol. 1,3,5-Pentanetriol. 1,2,4-Butanetriol. 1,3-Hexanediol. 1,3-Octanediol. 1,2-Butanediol. 1,2-Butanediol. 1,2,3-Butanetriol. (S)-(+)-2-Pentanol. 2-Pentanol.

Find more compounds similar to 1,3-Butanediol.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.